4-chloranyl-2-pentan-3-yl-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 4-chloranyl-2-pentan-3-yl-1,3-benzothiazole-6-carboxylic acid Openeye Name: 4-chloro-2-(1-ethylpropyl)-1,3-benzothiazole-6-carboxylic acid CAS Name: 4-chloro-2-pentan-3-yl-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 4-chloro-2-pentan-3-yl-1,3-benzothiazole-6-carboxylic acid Traditional Name: 4-chloro-2-(1-ethylpropyl)-1,3-benzothiazole-6-carboxylic acid Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=C(S1)C=C(C=C2Cl)C(=O)O

Isomeric SMILES

CCC(CC)C1=NC2=C(S1)C=C(C=C2Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO2S/c1-3-7(4-2)12-15-11-9(14)5-8(13(16)17)6-10(11)18-12/h5-7H,3-4H2,1-2H3,(H,16,17)